[2-[8-(2,5-dinitrophenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide

Systemtic Name: [2-[8-(2,5-dinitrophenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium hydroxide Openeye Name: [2-[8-(2,5-dinitrophenoxy)octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [2-[8-(2,5-dinitrophenoxy)octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [2-[8-(2,5-dinitrophenoxy)octoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [2-[8-(2,5-dinitrophenoxy)octoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C21H36N3O12P MolecularWeight: 553.497201

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].[OH-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].[OH-]

InChI

InChI=1S/C21H34N3O11P.H2O/c1-24(2,3)16-18(15-21(25)26)35-36(31,32)34-13-9-7-5-4-6-8-12-33-20-14-17(22(27)28)10-11-19(20)23(29)30;/h10-11,14,18H,4-9,12-13,15-16H2,1-3H3,(H-,25,26,31,32);1H2